Compression of H2 O ice to 126 GPa and implications for hydrogen-bond symmetrization: Synchrotron x-ray diffraction measurements and density-functional calculations

Emiko Sugimura, Toshiaki Iitaka, Kei Hirose, Katsuyuki Kawamura, Nagayoshi Sata, Yasuo Ohishi

Research output: Contribution to journalArticle

59 Citations (Scopus)

Abstract

We examined the volume compression and phase transformations of H2 O ice by a combination of synchrotron x-ray diffraction measurements and density-functional calculations up to 126 GPa. The experimental data demonstrate that ice changes its compressibility at 40 and 60 GPa at room temperature, corresponding to the phase transitions from ice VII to dynamically disordered ice VII and subsequently to dynamically disordered ice X. The intermediate phase, dynamically disordered ice VII, is highly compressible, possibly due to quantum effects of protons. In contrast, dynamically disordered ice X and ice X show much smaller compressibility.

Original languageEnglish
Article number214103
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume77
Issue number21
DOIs
Publication statusPublished - Jun 11 2008
Externally publishedYes

Fingerprint

Ice
Synchrotrons
Density functional theory
Hydrogen bonds
synchrotrons
ice
Compaction
x ray diffraction
Diffraction
hydrogen bonds
X rays
Compressibility
compressibility
Phase transitions
phase transformations
Protons
protons
room temperature

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Compression of H2 O ice to 126 GPa and implications for hydrogen-bond symmetrization : Synchrotron x-ray diffraction measurements and density-functional calculations. / Sugimura, Emiko; Iitaka, Toshiaki; Hirose, Kei; Kawamura, Katsuyuki; Sata, Nagayoshi; Ohishi, Yasuo.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 77, No. 21, 214103, 11.06.2008.

Research output: Contribution to journalArticle

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